N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H15ClN2O4S — CID 20997162

IUPACN-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11-5-6-13(18)10-15(11)19-17(22)12-3-2-4-14(9-12)20-16(21)7-8-25(20,23)24/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyXYQMQWLHQPGNKG-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.97
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20997162) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20997162
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11-5-6-13(18)10-15(11)19-17(22)12-3-2-4-14(9-12)20-16(21)7-8-25(20,23)24/h2-6,9-10H,7-8H2,1H3,(H,19,22)
InChIKeyXYQMQWLHQPGNKG-UHFFFAOYSA-N
XLogP2.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997161
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007390
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007406
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007398
N-(5-chloro-2-methylphenyl)-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzamide
CID 2924851
N-[(2S)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42343146
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578
N-(5-chloro-2-methylphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694341
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20997162) is N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is XYQMQWLHQPGNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-11-5-6-13(18)10-15(11)19-17(22)12-3-2-4-14(9-12)20-16(21)7-8-25(20,23)24/h2-6,9-10H,7-8H2,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 378.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20997162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).